[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol

C15H16ClN3O2 — CID 174523651

IUPAC[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(Cl)cc(C3CNCCO3)n2)c1
InChIInChI=1S/C15H16ClN3O2/c16-14-7-12(13-8-17-4-5-21-13)18-15(19-14)11-3-1-2-10(6-11)9-20/h1-3,6-7,13,17,20H,4-5,8-9H2
InChIKeyCLPWMELVQOPWGX-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.95
Rot. Bonds3

About [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol

[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol (PubChem CID 174523651) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
PubChem CID174523651
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(Cl)cc(C3CNCCO3)n2)c1
InChIInChI=1S/C15H16ClN3O2/c16-14-7-12(13-8-17-4-5-21-13)18-15(19-14)11-3-1-2-10(6-11)9-20/h1-3,6-7,13,17,20H,4-5,8-9H2
InChIKeyCLPWMELVQOPWGX-UHFFFAOYSA-N
XLogP1.95
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
CID 174537284
N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 174523676
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
CID 175250592
CID 87791784
CID 87791784
3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline
CID 174537282
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
(4-fluoro-3-morpholin-2-ylphenyl)methanol
CID 117301215
2-pyridin-2-ylmorpholine
CID 19353403

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol (CID 174523651) is [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol is OCc1cccc(-c2nc(Cl)cc(C3CNCCO3)n2)c1.
What is the InChIKey of [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol?
The InChIKey is CLPWMELVQOPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-7-12(13-8-17-4-5-21-13)18-15(19-14)11-3-1-2-10(6-11)9-20/h1-3,6-7,13,17,20H,4-5,8-9H2.
What are the key properties of [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol?
[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol has a molecular weight of 305.76 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 174523651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).